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MATLAB-code
ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 226-250 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Magnetic moment
✕
226
Ag
54
Ne
-0.000
227
Ag
54
Na
0.000
228
Ag
54
Mg
-0.000
229
Ag
54
Al
0.000
230
Ag
54
Si
-0.000
231
Ag
54
P
0.000
232
Ag
54
S
-0.000
233
Ag
54
Cl
-0.000
234
Ag
54
Ar
0.000
235
Ag
54
H
-0.000
236
Ag
54
He
-0.000
237
Ag
54
Li
-0.000
238
Ag
54
Be
0.000
239
Ag
54
B
0.000
240
Ag
54
C
-0.000
241
Ag
54
N
0.000
242
Ag
54
O
0.000
243
Ag
54
F
0.000
244
Ag
54
Ne
0.000
245
Ag
54
Na
-0.000
246
Ag
54
Mg
-0.000
247
Ag
54
Al
0.000
248
Ag
54
Si
-0.000
249
Ag
54
P
-0.000
250
Ag
54
S
-0.000
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